UCSF

ZINC34225147

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 35 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) 5.90 14.6 -93.37 2 4 2 15 519.605 8
Hi High (pH 8-9.5) 5.90 10.59 -3.3 0 4 0 13 517.589 8
Mid Mid (pH 6-8) 5.90 12.77 -38.12 1 4 1 14 518.597 8
Mid Mid (pH 6-8) 5.90 14.94 -112.73 2 4 2 15 519.605 8

Activity (Go SEA)

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