UCSF

ZINC37202061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 4.01 8.09 -35.77 2 3 1 30 313.874 8
Hi High (pH 8-9.5) 4.01 6 -4.09 1 3 0 28 312.866 8
Lo Low (pH 4.5-6) 4.01 9.37 -112.23 3 3 2 34 314.882 8

Activity (Go SEA)

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