UCSF

ZINC06293287

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 17 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -2.85 -2.85 -347.19 1 10 -4 174 290.057 5
Mid Mid (pH 6-8) -2.85 -4 -225.28 2 10 -3 171 291.065 5
Mid Mid (pH 6-8) -2.85 -4.01 -220.44 2 10 -3 171 291.065 5
Lo Low (pH 4.5-6) -2.85 -5.16 -113.58 3 10 -2 169 292.073 5

Activity (Go SEA)

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