UCSF

ZINC39899801

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.81 10.57 -11.49 0 3 0 27 292.382 5
Mid Mid (pH 6-8) 4.81 11.19 -25.37 1 3 1 28 293.39 5

Activity (Go SEA)

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