UCSF

ZINC08740520

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 31 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) 0.10 -2.83 -21.7 7 13 0 193 431.409 6
Lo Low (pH 4.5-6) 0.10 -2.9 -39.84 8 13 1 195 432.417 6
Lo Low (pH 4.5-6) 0.10 -6.19 -41.83 8 13 1 195 432.417 6

Activity (Go SEA)

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