UCSF

ZINC44679704

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.21 2.31 -42.17 6 5 1 86 261.349 4
Hi High (pH 8-9.5) 1.21 -0.08 -6.86 5 5 0 84 260.341 4

Activity (Go SEA)

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