UCSF

ZINC21799990

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.26 8.1 -20.73 1 5 0 50 348.45 3
Mid Mid (pH 6-8) 3.26 10.33 -55.37 2 5 1 51 349.458 3
Mid Mid (pH 6-8) 3.26 8.51 -31.32 2 5 1 51 349.458 3
Lo Low (pH 4.5-6) 3.26 10.74 -105.96 3 5 2 53 350.466 3

Activity (Go SEA)

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