UCSF

ZINC45647374

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.79 4.34 -41.6 4 3 1 57 225.356 4
Mid Mid (pH 6-8) 1.79 4.01 -6.3 3 3 0 55 224.348 4

Activity (Go SEA)

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