UCSF

ZINC49455433

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 2.66 8.11 -39.94 3 5 0 84 285.347 2
Mid Mid (pH 6-8) 2.66 7.79 -51.88 2 5 -1 82 284.339 2

Activity (Go SEA)

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