UCSF

ZINC16662946

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 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) 5.95 11.06 -9.28 0 3 0 38 326.399 2
Lo Low (pH 4.5-6) 5.95 11.33 -33.09 1 3 1 40 327.407 2

Activity (Go SEA)

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