UCSF

ZINC40854299

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 No

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) 0.98 5.38 -51.82 3 5 1 66 308.427 5
Mid Mid (pH 6-8) 0.98 4.02 -12.53 2 5 0 61 307.419 5

Activity (Go SEA)

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