UCSF

ZINC36886652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 0.97 3.11 -45.71 3 4 1 56 249.313 4
Lo Low (pH 4.5-6) 0.97 5.37 -130.85 4 4 2 57 250.321 4
Lo Low (pH 4.5-6) 0.97 4.03 -46.16 3 4 1 52 249.313 4

Activity (Go SEA)

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