UCSF

ZINC02020229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 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) 3.24 10.68 -41.25 1 5 1 57 318.393 6
Mid Mid (pH 6-8) 3.24 8.33 -6.84 0 5 0 56 317.385 6

Activity (Go SEA)

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