UCSF

ZINC24032091

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 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) 1.91 5.79 -7.75 1 4 0 42 290.407 3
Lo Low (pH 4.5-6) 1.91 7.69 -37.83 2 4 1 43 291.415 3

Activity (Go SEA)

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