UCSF

ZINC37694157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 12 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) 0.79 -0.25 -3.24 1 3 0 33 173.256 3
Mid Mid (pH 6-8) 0.79 1.95 -31.87 2 3 1 34 174.264 3

Activity (Go SEA)

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