UCSF

ZINC06752829

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 28 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) 3.16 6.84 -12 2 6 0 78 395.484 6
Hi High (pH 8-9.5) 3.14 7.01 -56 0 6 -1 77 394.476 6
Hi High (pH 8-9.5) 3.14 7.19 -46.02 0 6 -1 77 394.476 6
Hi High (pH 8-9.5) 3.16 7.71 -46 1 6 -1 81 394.476 6
Mid Mid (pH 6-8) 3.16 7.61 -52.95 1 6 -1 81 394.476 6

Activity (Go SEA)

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