UCSF

ZINC34659728

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 3.95 9.73 -99.21 3 3 2 30 345.325 10
Hi High (pH 8-9.5) 3.95 7.56 -35.46 2 3 1 29 344.317 10

Activity (Go SEA)

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