UCSF

ZINC05260268

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 26 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) 4.37 8.7 -54.28 0 7 -1 103 369.378 6
Mid Mid (pH 6-8) 4.37 8.29 -15.58 1 7 0 101 370.386 6

Activity (Go SEA)

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