UCSF

ZINC51364299

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 33 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) 0.52 12.79 -64.75 2 8 1 85 459.542 9
Mid Mid (pH 6-8) 0.52 10.58 -22.12 1 8 0 84 458.534 9

Activity (Go SEA)

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