UCSF

ZINC43385308

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 22 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) 1.20 4.73 -20.36 1 7 0 74 321.406 3
Lo Low (pH 4.5-6) 1.20 6.97 -61.63 2 7 1 76 322.414 3

Activity (Go SEA)

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