UCSF

ZINC14292665

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 20 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) 0.84 5.43 -56.73 3 5 1 70 272.328 4
Mid Mid (pH 6-8) 0.84 4.16 -11.62 2 5 0 65 271.32 4
Mid Mid (pH 6-8) 0.84 4.16 -12.01 2 5 0 65 271.32 4

Activity (Go SEA)

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