UCSF

ZINC52867741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.31 5.28 -8.84 0 4 0 33 262.353 5
Lo Low (pH 4.5-6) 1.31 7.48 -37.27 1 4 1 34 263.361 5

Activity (Go SEA)

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