UCSF

ZINC40494656

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) 2.25 3.25 -4.2 3 3 0 51 179.267 3
Mid Mid (pH 6-8) 2.25 3.71 -25.73 4 3 1 52 180.275 3

Activity (Go SEA)

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