UCSF

ZINC39269468

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 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) 1.52 8.42 -135.39 0 4 -2 80 232.235 3
Mid Mid (pH 6-8) 1.52 6.43 -56.1 1 4 -1 77 233.243 3
Lo Low (pH 4.5-6) 1.52 6.61 -49.7 1 4 -1 77 233.243 3

Activity (Go SEA)

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