UCSF

ZINC62948814

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) 0.73 1.77 -46.3 3 4 1 49 240.371 2
Mid Mid (pH 6-8) 0.73 2.9 -40.47 3 4 1 46 240.371 2
Mid Mid (pH 6-8) 0.73 0.51 -7.53 2 4 0 44 239.363 2
Lo Low (pH 4.5-6) 0.73 4.18 -116.7 4 4 2 50 241.379 2

Activity (Go SEA)

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