UCSF

ZINC45692880

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 4.34 9.44 -34.3 2 2 1 20 295.878 8
Mid Mid (pH 6-8) 4.34 9.94 -34 2 2 1 16 295.878 8
Lo Low (pH 4.5-6) 4.34 10.83 -114.5 3 2 2 21 296.886 8

Activity (Go SEA)

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