UCSF

ZINC42166097

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 14 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) 0.63 2.44 -93.2 4 4 2 54 199.298 2
Mid Mid (pH 6-8) 0.63 1.14 -34.52 3 4 1 49 198.29 2

Activity (Go SEA)

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