UCSF

ZINC42469061

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 2.30 8.78 -36.34 1 3 1 31 254.375 7
Mid Mid (pH 6-8) 2.30 6.98 -4.85 0 3 0 30 253.367 7

Activity (Go SEA)

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