UCSF

ZINC04170823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 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) 3.79 0 -12.42 0 8 0 110 420.849 7
Mid Mid (pH 6-8) 3.97 0 -12.88 0 8 0 110 420.849 7
Mid Mid (pH 6-8) 3.97 1.23 -12.87 0 8 0 110 420.849 7
Mid Mid (pH 6-8) 3.79 0.06 -15.88 0 8 0 110 420.849 7

Activity (Go SEA)

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