UCSF

ZINC03418900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 18 No

Download: MOL2 SDF SMILES Flexibase

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) 1.06 1.5 -14.3 1 5 0 91 240.218 2
Hi High (pH 8-9.5) 1.90 0.49 -42.6 1 5 -1 97 239.21 2
Hi High (pH 8-9.5) 1.90 1.26 -95.28 0 5 -2 100 238.202 2
Mid Mid (pH 6-8) 1.06 2.26 -43.27 0 5 -1 93 239.21 2
Lo Low (pH 4.5-6) 1.45 2.5 -15.95 2 5 0 94 240.218 2

Activity (Go SEA)

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

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