UCSF

ZINC34646460

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 23 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) -0.28 7.3 -108.23 3 6 0 93 319.336 3
Hi High (pH 8-9.5) -0.28 7.04 -65.95 2 6 -1 91 318.328 3
Mid Mid (pH 6-8) -0.28 5.29 -63.98 4 6 1 90 320.344 3
Lo Low (pH 4.5-6) -3.03 5.49 -92.29 4 6 1 96 320.344 2

Activity (Go SEA)

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