UCSF

ZINC45335931

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 21 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) 3.55 6 -7.54 3 3 0 59 276.339 3
Mid Mid (pH 6-8) 3.55 6.47 -34.11 4 3 1 60 277.347 3

Activity (Go SEA)

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