UCSF

ZINC07285681

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2006 27 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) 3.23 8.86 -52.82 3 6 1 79 385.513 7
Mid Mid (pH 6-8) 3.23 6.91 -16.67 2 6 0 78 384.505 7

Activity (Go SEA)

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