UCSF

ZINC55576411

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 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) 1.91 10.18 -40.08 2 5 1 45 318.489 5
Mid Mid (pH 6-8) 1.91 7.83 -45.42 2 5 1 49 318.489 5
Lo Low (pH 4.5-6) 1.91 10.55 -194.3 4 5 3 51 320.505 5
Lo Low (pH 4.5-6) 1.91 10.44 -182.5 4 5 3 51 320.505 5

Activity (Go SEA)

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