UCSF

ZINC00921304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 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) 2.90 0.9 -42.71 2 7 1 91 380.424 9
Lo Low (pH 4.5-6) 2.90 1.01 -81.52 3 7 2 92 381.432 9

Activity (Go SEA)

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