UCSF

ZINC04149894

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 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) 2.56 -2.06 -12.72 1 7 0 94 387.432 7
Mid Mid (pH 6-8) 2.75 -2 -13.21 1 7 0 94 387.432 7
Mid Mid (pH 6-8) 2.75 -0.75 -14.81 1 7 0 94 387.432 7
Mid Mid (pH 6-8) 2.56 -1.96 -16.03 1 7 0 94 387.432 7

Activity (Go SEA)

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