UCSF

ZINC34561753

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 0.89 -1.33 -6 2 2 0 40 212.089 4
Hi High (pH 8-9.5) 0.89 -0.78 -37.83 1 2 -1 43 211.081 4

Activity (Go SEA)

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