UCSF

ZINC37994251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.23 7.96 -49.17 0 7 -1 91 287.299 5
Lo Low (pH 4.5-6) -1.23 8.51 -64.41 1 7 0 92 288.307 5

Activity (Go SEA)

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