UCSF

ZINC20722890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 22 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) 1.98 1.19 -9.23 3 6 0 90 296.33 1
Ref Reference (pH 7) 1.80 3.78 -9.27 3 6 0 87 296.33 1
Mid Mid (pH 6-8) 1.80 3.8 -10.11 3 6 0 87 296.33 1
Mid Mid (pH 6-8) 1.98 1.17 -11.23 3 6 0 90 296.33 1

Activity (Go SEA)

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