UCSF

ZINC43446285

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.12 3.94 -39.59 2 4 1 46 215.317 5
Mid Mid (pH 6-8) 1.12 2.76 -5.11 1 4 0 42 214.309 5
Mid Mid (pH 6-8) 1.12 5.16 -37.44 2 4 1 43 215.317 5
Lo Low (pH 4.5-6) 1.12 6.33 -104.01 3 4 2 47 216.325 5

Activity (Go SEA)

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