UCSF

ZINC44114610

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.36 5.3 -35.52 2 4 1 37 293.431 7
Mid Mid (pH 6-8) 2.36 3.02 -4.84 1 4 0 36 292.423 7

Activity (Go SEA)

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