UCSF

ZINC23069745

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 15 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) 2.87 6.76 -117.36 4 2 2 32 214.397 5
Hi High (pH 8-9.5) 2.87 5.1 -36.95 3 2 1 31 213.389 5

Activity (Go SEA)

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