UCSF

ZINC01228648

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 22 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) 5.43 11.19 -45.52 0 2 -1 40 291.37 3
Mid Mid (pH 6-8) 4.75 4.57 -13.89 0 2 0 34 292.378 3

Activity (Go SEA)

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