UCSF

ZINC02837059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 30 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) 5.12 -6.3 -14.72 2 6 0 92 444.578 6
Hi High (pH 8-9.5) 5.12 -5.17 -98.91 0 6 -2 96 442.562 6
Hi High (pH 8-9.5) 5.12 -5.75 -44.21 1 6 -1 94 443.57 6
Hi High (pH 8-9.5) 5.12 -5.72 -47.62 1 6 -1 94 443.57 6

Activity (Go SEA)

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