UCSF

ZINC19425944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 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) -0.41 5.22 -96.95 5 4 2 61 265.401 8
Mid Mid (pH 6-8) -0.41 4.9 -44.77 4 4 1 60 264.393 8

Activity (Go SEA)

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