UCSF

ZINC09885190

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 24 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) 2.49 8.68 -13.2 2 5 0 72 338.436 2
Lo Low (pH 4.5-6) 2.49 -2.5 -38.74 3 5 1 73 339.444 2
Lo Low (pH 4.5-6) 2.49 -2.52 -42.53 3 5 1 73 339.444 2

Activity (Go SEA)

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