UCSF

ZINC37093130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 0.87 1.65 -39.51 3 4 1 63 188.247 5
Hi High (pH 8-9.5) 0.87 0.29 -5.63 2 4 0 59 187.239 5

Activity (Go SEA)

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