UCSF

ZINC34225146

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 14.49 -92.91 2 4 2 15 519.605 8
Hi High (pH 8-9.5) 5.90 10.82 -3.02 0 4 0 13 517.589 8
Mid Mid (pH 6-8) 5.90 12.65 -37.69 1 4 1 14 518.597 8
Mid Mid (pH 6-8) 5.90 14.83 -112.35 2 4 2 15 519.605 8

Activity (Go SEA)

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