UCSF

ZINC34538289

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 5.27 14.38 -37.46 1 3 1 31 344.519 6
Hi High (pH 8-9.5) 5.27 11.9 -5.19 0 3 0 30 343.511 6

Activity (Go SEA)

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