UCSF

ZINC04576461

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 23 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) -0.28 -3.18 -52.33 4 6 1 94 323.344 7
Mid Mid (pH 6-8) -0.28 -3.46 -58.77 4 6 1 94 323.344 6
Mid Mid (pH 6-8) -0.87 -3.37 -66.23 3 6 1 91 323.344 7

Activity (Go SEA)

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