UCSF

ZINC05343120

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 28 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) 3.31 4.68 -14.32 3 6 0 89 401.825 4
Ref Reference (pH 7) 3.31 4.62 -10.29 3 6 0 89 401.825 4
Hi High (pH 8-9.5) 3.28 4.42 -53.59 1 6 -1 88 400.817 4
Hi High (pH 8-9.5) 3.28 5 -49.67 1 6 -1 88 400.817 4
Hi High (pH 8-9.5) 3.31 5.45 -40.66 2 6 -1 92 400.817 4
Mid Mid (pH 6-8) 3.31 5.4 -46.91 2 6 -1 92 400.817 4

Activity (Go SEA)

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