UCSF

ZINC20535284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 22 Yes

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) 3.97 10.56 -37.56 1 2 1 8 305.461 5
Mid Mid (pH 6-8) 3.97 10.48 -35.18 1 2 1 8 305.461 5
Mid Mid (pH 6-8) 3.97 12.83 -115.02 2 2 2 9 306.469 5

Activity (Go SEA)

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