UCSF

ZINC42944390

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 4.10 6.71 -44.47 3 2 1 31 283.867 8
Mid Mid (pH 6-8) 4.10 8.28 -34.56 3 2 1 30 283.867 8

Activity (Go SEA)

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