UCSF

ZINC34615244

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 3.99 13.16 -43.9 0 2 -1 40 289.439 9
Lo Low (pH 4.5-6) 3.99 11.17 -4.84 1 2 0 37 290.447 9

Activity (Go SEA)

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