UCSF

ZINC19842481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 3.71 9.22 -37.83 1 2 1 8 291.434 3
Mid Mid (pH 6-8) 3.71 9.28 -40.49 1 2 1 8 291.434 3
Mid Mid (pH 6-8) 3.71 6.95 -2.39 0 2 0 6 290.426 3

Activity (Go SEA)

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