UCSF

ZINC39380141

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 28 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) 3.28 9.23 -44.27 2 4 1 37 385.503 5
Mid Mid (pH 6-8) 3.28 8.6 -44.57 2 4 1 37 385.503 5

Activity (Go SEA)

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