UCSF

ZINC34432489

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 17 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) 2.79 7.9 -35.67 2 2 1 16 233.379 5
Mid Mid (pH 6-8) 2.79 6.6 -35.33 2 2 1 20 233.379 5
Mid Mid (pH 6-8) 2.79 8.83 -107.43 3 2 2 21 234.387 5

Activity (Go SEA)

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