UCSF

ZINC18996834

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2008 20 No

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) 0.84 4.3 -11.58 0 5 0 50 294.738 2
Ref Reference (pH 7) 0.84 3.98 -12.67 0 5 0 50 294.738 2
Lo Low (pH 4.5-6) 0.84 6.52 -48.19 1 5 1 51 295.746 2

Activity (Go SEA)

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