UCSF

ZINC19863999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 3.49 8.81 -44.67 2 6 1 67 397.495 6
Hi High (pH 8-9.5) 3.49 7.12 -52.07 0 6 -1 69 395.479 6
Hi High (pH 8-9.5) 3.49 6.5 -14.56 1 6 0 66 396.487 6
Mid Mid (pH 6-8) 3.49 9.49 -24.71 1 6 0 70 396.487 6
Mid Mid (pH 6-8) 3.49 8.87 -33.2 2 6 1 67 397.495 6

Activity (Go SEA)

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