UCSF

ZINC34558741

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.99 7.27 -11.45 1 3 0 50 262.264 0
Hi High (pH 8-9.5) 3.99 8.04 -49.96 0 3 -1 53 261.256 0

Activity (Go SEA)

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