UCSF

ZINC20187864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 0.95 3.82 -61.02 4 4 1 74 325.841 5
Hi High (pH 8-9.5) 0.95 3.54 -10.45 3 4 0 72 324.833 5

Activity (Go SEA)

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