UCSF

ZINC20093814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 3.12 8.14 -32.4 2 3 1 26 285.411 7
Mid Mid (pH 6-8) 3.12 7.17 -36.45 2 3 1 29 285.411 7
Mid Mid (pH 6-8) 3.12 7.3 -3.78 1 3 0 24 284.403 7
Lo Low (pH 4.5-6) 3.12 9.46 -121.68 3 3 2 30 286.419 7

Activity (Go SEA)

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