UCSF

ZINC59853846

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 24 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) 4.24 13.38 -105.85 2 4 2 35 336.52 13
Mid Mid (pH 6-8) 4.24 11.05 -38.9 1 4 1 34 335.512 13

Activity (Go SEA)

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