UCSF

ZINC19386276

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 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) 1.80 3.56 -48.18 3 3 1 44 211.329 7
Mid Mid (pH 6-8) 1.80 5.7 -119.92 4 3 2 45 212.337 7
Mid Mid (pH 6-8) 1.80 5.09 -28.78 3 3 1 44 211.329 7

Activity (Go SEA)

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