UCSF

ZINC05315117

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 39 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) 7.00 11.03 -11.59 2 7 0 89 525.649 8
Mid Mid (pH 6-8) 7.18 10.5 -11.98 2 7 0 89 525.649 8
Mid Mid (pH 6-8) 7.18 11.71 -17.21 2 7 0 89 525.649 8
Mid Mid (pH 6-8) 7.00 11.05 -11.49 2 7 0 89 525.649 8

Activity (Go SEA)

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