UCSF

ZINC37097467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.97 8.18 -115.13 4 2 2 32 234.387 7
Mid Mid (pH 6-8) 0.97 7.87 -30.56 3 2 1 30 233.379 7

Activity (Go SEA)

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