UCSF

ZINC04896349

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 24 No

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) 2.96 7.37 -53.67 1 10 -1 153 332.248 5
Mid Mid (pH 6-8) 2.96 6.27 -17.48 2 10 0 150 333.256 5

Activity (Go SEA)

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