UCSF

ZINC07390994

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 23 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) 1.84 8.19 -53.28 2 6 1 84 316.381 5
Hi High (pH 8-9.5) 1.84 5.96 -18.33 1 6 0 82 315.373 5
Hi High (pH 8-9.5) 2.03 6.54 -31.5 1 6 0 90 315.373 5

Activity (Go SEA)

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