UCSF

ZINC40390009

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 16 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) 3.90 8.86 -7.81 0 2 0 18 216.328 4
Mid Mid (pH 6-8) 3.90 9.28 -23.96 1 2 1 19 217.336 4

Activity (Go SEA)

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