UCSF

ZINC36998427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) -0.99 0.28 -16.37 3 6 0 86 231.259 5
Lo Low (pH 4.5-6) -0.99 0.74 -46.43 4 6 1 87 232.267 5

Activity (Go SEA)

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