UCSF

ZINC42458822

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.35 2.55 -43.17 3 3 1 40 294.238 6
Hi High (pH 8-9.5) 1.35 1.7 -2.08 2 3 0 38 293.23 6
Mid Mid (pH 6-8) 1.35 4.47 -29.66 3 3 1 40 294.238 6
Mid Mid (pH 6-8) 1.35 4.22 -117.56 4 3 2 41 295.246 6

Activity (Go SEA)

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