UCSF

ZINC12375443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 26 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) 3.48 -2.6 -11.77 3 5 0 77 369.421 4
Lo Low (pH 4.5-6) 3.48 -2.49 -37.82 4 5 1 78 370.429 4

Activity (Go SEA)

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