UCSF

ZINC49945218

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 15 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) 1.48 6.02 -7.84 0 3 0 33 206.289 4
Lo Low (pH 4.5-6) 1.48 6.49 -37.43 1 3 1 34 207.297 4

Activity (Go SEA)

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