UCSF

ZINC34938101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 1.63 5.29 -33.98 2 3 1 26 235.351 6
Mid Mid (pH 6-8) 1.63 4.12 -37.82 2 3 1 29 235.351 6
Lo Low (pH 4.5-6) 1.63 6.47 -110.64 3 3 2 30 236.359 6

Activity (Go SEA)

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