UCSF

ZINC12468248

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 23 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) 3.15 11.02 -14.77 0 5 0 52 304.353 3
Mid Mid (pH 6-8) 3.16 12.39 -46.96 2 5 1 56 305.361 3
Lo Low (pH 4.5-6) 3.15 11.33 -35.08 1 5 1 54 305.361 3

Activity (Go SEA)

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