UCSF

ZINC37040033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.54 1.83 -52.87 4 6 1 92 262.289 2
Mid Mid (pH 6-8) 1.00 -0.81 -83.58 3 6 0 95 261.281 2

Activity (Go SEA)

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