UCSF

ZINC34007156

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 24 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) 2.42 6.66 -49.39 2 4 1 38 325.432 3
Hi High (pH 8-9.5) 2.42 5.3 -7.19 1 4 0 34 324.424 3
Mid Mid (pH 6-8) 2.42 8.59 -129.48 3 4 2 40 326.44 3

Activity (Go SEA)

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