UCSF

ZINC43912519

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 1.71 3.81 -32.78 2 5 1 48 297.419 11
Hi High (pH 8-9.5) 1.71 3.16 -5.12 1 5 0 43 296.411 11
Mid Mid (pH 6-8) 1.71 5.56 -110.42 3 5 2 49 298.427 11

Activity (Go SEA)

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