UCSF

ZINC44609796

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 0.25 2.92 -44.54 3 4 1 61 242.368 5
Hi High (pH 8-9.5) 0.25 2.58 -12.99 2 4 0 59 241.36 5

Activity (Go SEA)

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