UCSF

ZINC13147286

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 18 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) 3.87 6.02 -7.73 1 3 0 38 257.338 0
Mid Mid (pH 6-8) 3.87 7.16 -11.65 0 3 0 34 256.33 0

Activity (Go SEA)

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