UCSF

ZINC36874283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.55 4.35 -104.87 5 4 2 67 269.295 6
Mid Mid (pH 6-8) 1.55 3.91 -51.38 4 4 1 66 268.287 6

Activity (Go SEA)

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