UCSF

ZINC23360804

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 3.88 8.72 -19.95 1 5 0 64 339.848 7
Hi High (pH 8-9.5) 4.07 7.63 -45.56 0 5 -1 70 338.84 7

Activity (Go SEA)

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