UCSF

ZINC19885229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 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) 0.76 3.05 -40.75 2 4 1 46 201.29 5
Hi High (pH 8-9.5) 0.76 4.14 -37.76 2 4 1 43 201.29 5
Mid Mid (pH 6-8) 0.76 1.78 -5.11 1 4 0 42 200.282 5
Lo Low (pH 4.5-6) 0.76 5.41 -104.84 3 4 2 47 202.298 5

Activity (Go SEA)

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