UCSF

ZINC15769297

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 29 Yes

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) 4.56 7.35 -60.02 0 6 -1 86 429.543 6
Lo Low (pH 4.5-6) 4.56 7.38 -14.97 1 6 0 84 430.551 6

Activity (Go SEA)

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