UCSF

ZINC20069152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 No

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Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.53 3.53 -54.79 1 8 -1 120 256.201 2
Hi High (pH 8-9.5) 0.53 3.61 -135.07 0 8 -2 118 255.193 2
Mid Mid (pH 6-8) 0.47 6.04 -61.86 1 8 -1 112 256.201 2
Lo Low (pH 4.5-6) 0.47 6.13 -23 2 8 0 114 257.209 2

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.