UCSF

ZINC43394131

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.78 5.46 -44.38 3 3 1 44 270.4 5
Mid Mid (pH 6-8) 1.78 7.43 -120.38 4 3 2 45 271.408 5
Lo Low (pH 4.5-6) 1.78 6.17 -97.47 4 3 2 45 271.408 5

Activity (Go SEA)

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