UCSF

ZINC55360188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 21 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) 2.54 6.79 -36.42 2 3 1 38 285.411 8
Mid Mid (pH 6-8) 2.54 6.02 -5.5 1 3 0 36 284.403 8

Activity (Go SEA)

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