UCSF

ZINC19790397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 29 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) 3.51 7.21 -46.71 2 6 1 67 395.479 5
Mid Mid (pH 6-8) 3.51 4.94 -11.02 1 6 0 66 394.471 5
Mid Mid (pH 6-8) 3.51 7.21 -46.85 2 6 1 67 395.479 5

Activity (Go SEA)

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