UCSF

ZINC40395305

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 34 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) 4.73 15.61 -84.61 3 7 2 65 463.626 8
Hi High (pH 8-9.5) 4.73 15.32 -41.89 2 7 1 64 462.618 8

Activity (Go SEA)

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