UCSF

ZINC37626116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 18 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 0.44 -47.67 5 5 1 86 323.117 4
Hi High (pH 8-9.5) 0.89 0.03 -9.5 4 5 0 84 322.109 4

Activity (Go SEA)

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