UCSF

ZINC39384339

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 26 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) 2.37 7.94 -13.2 2 8 0 90 372.454 4
Mid Mid (pH 6-8) 2.37 8.25 -33 3 8 1 91 373.462 4
Lo Low (pH 4.5-6) 2.37 8.7 -77.28 4 8 2 92 374.47 4

Activity (Go SEA)

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