UCSF

ZINC26821661

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 25 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) 0.59 9.57 -92.09 1 7 0 83 348.378 4
Mid Mid (pH 6-8) 0.59 7.18 -58.77 0 7 -1 82 347.37 4
Lo Low (pH 4.5-6) -3.00 8.46 -87.04 2 7 1 86 349.386 3

Activity (Go SEA)

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