UCSF

ZINC19881635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 23 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) 1.30 5.08 -8.77 0 5 0 44 315.417 5
Ref Reference (pH 7) 1.30 5.11 -8.85 0 5 0 44 315.417 5
Mid Mid (pH 6-8) 1.30 7.37 -42.98 1 5 1 45 316.425 5
Mid Mid (pH 6-8) 1.30 7.33 -43.07 1 5 1 45 316.425 5

Activity (Go SEA)

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