UCSF

ZINC41511137

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.84 11.65 -41.05 2 6 1 81 388.484 8
Hi High (pH 8-9.5) 3.84 12.41 -23.16 1 6 0 84 387.476 8

Activity (Go SEA)

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