UCSF

ZINC18124893

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 21 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) 2.80 6.34 -12.36 2 5 0 67 278.315 2
Lo Low (pH 4.5-6) 2.80 6.78 -38.7 3 5 1 68 279.323 2
Lo Low (pH 4.5-6) 2.80 7.22 -74.35 4 5 2 69 280.331 2

Activity (Go SEA)

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