UCSF

ZINC13989238

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) 3.33 10.05 -10.72 0 3 0 29 339.442 6
Mid Mid (pH 6-8) 3.33 10.69 -31.72 1 3 1 30 340.45 6
Lo Low (pH 4.5-6) 3.33 12.53 -103.02 2 3 2 31 341.458 6
Lo Low (pH 4.5-6) 3.33 12.51 -114.66 2 3 2 31 341.458 6
Lo Low (pH 4.5-6) 3.33 12.79 -199.84 3 3 3 33 342.466 6

Activity (Go SEA)

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