UCSF

ZINC20183656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.46 3.97 -51.46 0 6 -1 81 241.267 4
Lo Low (pH 4.5-6) -0.46 2.85 -16.6 1 6 0 78 242.275 4

Activity (Go SEA)

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