UCSF

ZINC58202339

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 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) 0.71 4.78 -45.02 2 5 1 52 267.349 7
Mid Mid (pH 6-8) 0.71 2.43 -12.66 1 5 0 51 266.341 7

Activity (Go SEA)

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