UCSF

ZINC71375612

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 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) 1.15 6.05 -53.57 3 6 1 85 273.382 8
Hi High (pH 8-9.5) 1.15 5.61 -8.68 2 6 0 83 272.374 8

Activity (Go SEA)

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