UCSF

ZINC09600825

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2007 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.30 12.57 -8.19 1 6 0 85 469.537 9
Mid Mid (pH 6-8) 6.48 12.39 -8.43 1 6 0 85 469.537 9
Mid Mid (pH 6-8) 6.48 13.2 -14.71 1 6 0 85 469.537 9
Mid Mid (pH 6-8) 6.30 12.57 -8.85 1 6 0 85 469.537 9

Activity (Go SEA)

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