UCSF

ZINC34664371

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 5.46 10.6 -37.7 2 2 1 26 349.292 5
Hi High (pH 8-9.5) 5.46 9.36 -3.25 1 2 0 21 348.284 5

Activity (Go SEA)

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