UCSF

ZINC20183657

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 0.10 4.73 -51.1 0 6 -1 81 255.294 5
Lo Low (pH 4.5-6) 0.10 3.61 -16.41 1 6 0 78 256.302 5

Activity (Go SEA)

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