UCSF

ZINC61992749

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 18 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) 2.88 4.85 -35.15 3 3 1 37 290.214 6
Hi High (pH 8-9.5) 2.88 4.69 -30.09 2 3 0 43 289.206 6
Mid Mid (pH 6-8) 2.88 6.23 -118.56 4 3 2 41 291.222 6
Mid Mid (pH 6-8) 2.88 3.94 -43.5 3 3 1 40 290.214 6

Activity (Go SEA)

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