UCSF

ZINC34539016

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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) 2.28 7.12 -36.92 1 1 1 4 168.235 2
Hi High (pH 8-9.5) 2.28 5 -2.61 0 1 0 3 167.227 2

Activity (Go SEA)

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