UCSF

ZINC36890469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 3.02 8.37 -58.83 1 6 -1 98 271.252 5
Lo Low (pH 4.5-6) 3.02 6.4 -12.77 2 6 0 95 272.26 5

Activity (Go SEA)

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