UCSF

ZINC19883712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 36 No

Download: MOL2 SDF SMILES Flexibase

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) 0.60 3.99 -64.28 0 10 -1 123 513.596 9
Mid Mid (pH 6-8) 0.60 6.33 -86.7 1 10 0 124 514.604 9

Activity (Go SEA)

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