UCSF

ZINC44116390

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 1.38 4.47 -35.96 2 3 1 28 235.351 3
Mid Mid (pH 6-8) 1.38 2.11 -3.42 1 3 0 27 234.343 3
Lo Low (pH 4.5-6) 1.38 3.84 -31.86 2 3 1 28 235.351 3

Activity (Go SEA)

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