UCSF

ZINC24878645

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 23 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) 3.00 9.72 -41.15 2 3 1 29 310.465 7
Mid Mid (pH 6-8) 3.00 8.78 -45.66 2 3 1 33 310.465 7

Activity (Go SEA)

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