UCSF

ZINC00091267

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 5.32 0.07 -7.83 1 3 0 37 332.447 4
Mid Mid (pH 6-8) 5.32 0.21 -29.32 2 3 1 39 333.455 4

Activity (Go SEA)

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