UCSF

ZINC19834936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 No

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) 1.83 7.02 -43.9 3 2 1 30 306.224 5
Hi High (pH 8-9.5) 1.83 4.77 -10.67 2 2 0 29 305.216 5

Activity (Go SEA)

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