UCSF

ZINC39380927

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 31 Yes

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) 3.12 7.17 -15.74 1 7 0 83 416.529 5
Mid Mid (pH 6-8) 3.12 7.49 -33.34 2 7 1 84 417.537 5
Lo Low (pH 4.5-6) 3.12 8.49 -79.89 3 7 2 86 418.545 5

Activity (Go SEA)

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