UCSF

ZINC11614643

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 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) 3.06 1.79 -42.49 1 6 1 68 414.485 5
Lo Low (pH 4.5-6) 3.06 1.9 -104.09 2 6 2 69 415.493 5

Activity (Go SEA)

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