UCSF

ZINC01110910

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 26 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) 3.78 6.13 -18.14 2 6 0 77 376.84 6
Lo Low (pH 4.5-6) 4.03 2.53 -29.62 3 6 1 85 377.848 6

Activity (Go SEA)

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