UCSF

ZINC43894618

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 1.89 7.59 -105.55 3 3 2 34 237.391 7
Hi High (pH 8-9.5) 1.89 5.69 -37.54 2 3 1 33 236.383 7
Mid Mid (pH 6-8) 1.89 6.52 -30.38 2 3 1 29 236.383 7

Activity (Go SEA)

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