UCSF

ZINC36922977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 1.60 4.2 -47.23 3 4 1 55 237.323 7
Hi High (pH 8-9.5) 1.60 2.85 -10.2 2 4 0 50 236.315 7

Activity (Go SEA)

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