UCSF

ZINC37052707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.70 -1.14 -53.39 2 6 -1 100 270.265 3
Lo Low (pH 4.5-6) 0.70 -0.37 -14.37 3 6 0 98 271.273 3

Activity (Go SEA)

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