UCSF

ZINC37083649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.27 7.3 -52.54 3 3 1 44 270.4 3
Hi High (pH 8-9.5) 3.27 6.9 -6.37 2 3 0 42 269.392 3
Mid Mid (pH 6-8) 3.27 7.75 -100.2 4 3 2 45 271.408 3

Activity (Go SEA)

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