UCSF

ZINC13989373

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 25 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) 3.93 10.53 -10.47 0 2 0 16 338.401 6
Lo Low (pH 4.5-6) 3.93 12.8 -101.56 2 2 2 19 340.417 6

Activity (Go SEA)

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