UCSF

ZINC19817403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 31 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) 4.98 15.4 -15.01 1 6 0 67 416.525 5
Lo Low (pH 4.5-6) 4.98 15.84 -39.43 2 6 1 68 417.533 5

Activity (Go SEA)

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