UCSF

ZINC37039062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.55 6.85 -118.39 4 4 2 52 283.46 5
Mid Mid (pH 6-8) 1.55 5.63 -49.58 3 4 1 51 282.452 5

Activity (Go SEA)

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