UCSF

ZINC21639895

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 3.95 10.68 -9.45 1 4 0 41 334.398 4
Lo Low (pH 4.5-6) 3.95 13.01 -53.52 2 4 1 42 335.406 4

Activity (Go SEA)

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