UCSF

ZINC36754729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) -0.47 -1.02 -44.95 4 5 1 69 230.332 5
Lo Low (pH 4.5-6) -0.47 1.17 -105.3 5 5 2 70 231.34 5

Activity (Go SEA)

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