UCSF

ZINC04003074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 23 Yes

Other Names:

MFCD01568982

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) 3.26 10.6 -42.62 1 4 1 31 308.405 3
Mid Mid (pH 6-8) 3.26 11.05 -90.49 2 4 2 32 309.413 3

Activity (Go SEA)

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