UCSF

ZINC21218383

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 22 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) 2.82 6.82 -13.88 1 4 0 51 292.338 4
Lo Low (pH 4.5-6) 2.82 7.27 -48.84 2 4 1 52 293.346 4

Activity (Go SEA)

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