UCSF

ZINC39550330

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.02 10.91 -8.64 0 3 0 34 376.459 4
Lo Low (pH 4.5-6) 6.02 11.77 -30.43 1 3 1 36 377.467 4
Lo Low (pH 4.5-6) 6.02 10.8 -29.22 1 3 1 36 377.467 4

Activity (Go SEA)

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