UCSF

ZINC37399636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 12 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) -0.13 2.74 -44.06 2 3 1 44 168.264 4
Lo Low (pH 4.5-6) -0.13 4.99 -122.92 3 3 2 45 169.272 4
Lo Low (pH 4.5-6) -0.13 3.66 -42.6 2 3 1 40 168.264 4

Activity (Go SEA)

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