UCSF

ZINC35661238

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 1.96 4.17 -43.89 4 3 1 57 255.769 5
Hi High (pH 8-9.5) 1.96 3.88 -5.33 3 3 0 55 254.761 5

Activity (Go SEA)

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