UCSF

ZINC60300864

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 11 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) 0.30 7.32 -86.76 2 3 2 24 155.245 4
Mid Mid (pH 6-8) 0.30 6.81 -42.97 1 3 1 22 154.237 4

Activity (Go SEA)

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