UCSF

ZINC61311234

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 25 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) 1.68 10.84 -14.57 0 6 0 54 359.499 7
Lo Low (pH 4.5-6) 1.68 11.62 -27.98 1 6 0 55 360.507 7

Activity (Go SEA)

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