UCSF

ZINC42100488

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) 1.54 3.72 -9.59 0 5 0 52 339.189 3
Mid Mid (pH 6-8) 1.54 6 -39.71 1 5 1 53 340.197 3

Activity (Go SEA)

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