UCSF

ZINC06143902

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 35 No

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) 0.33 -5.86 -65.83 2 10 1 121 501.585 8
Mid Mid (pH 6-8) -0.25 -5.96 -79.12 1 10 1 118 501.585 8
Lo Low (pH 4.5-6) 0.78 -6.12 -136.87 3 10 2 122 502.593 7

Activity (Go SEA)

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