UCSF

ZINC40860244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 1.05 1.13 -7.49 1 5 0 53 263.407 4
Mid Mid (pH 6-8) 1.05 2.33 -51.88 2 5 1 57 264.415 4

Activity (Go SEA)

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