UCSF

ZINC19801262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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) 1.71 3.66 -39.83 2 3 1 29 235.351 3
Hi High (pH 8-9.5) 1.71 2.44 -3.75 1 3 0 24 234.343 3

Activity (Go SEA)

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