UCSF

ZINC44647431

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 1.62 4.94 -46.84 3 4 1 69 236.27 5
Hi High (pH 8-9.5) 1.62 3.58 -7.7 2 4 0 65 235.262 5

Activity (Go SEA)

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