UCSF

ZINC45301408

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 28 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) 4.84 9.12 -84.03 4 4 2 49 384.564 4
Hi High (pH 8-9.5) 4.84 9.87 -55.1 3 4 1 52 383.556 4

Activity (Go SEA)

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