UCSF

ZINC43420965

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 4.30 10.49 -52.24 3 5 1 49 385.507 6
Mid Mid (pH 6-8) 4.30 8.27 -11.17 2 5 0 48 384.499 6

Activity (Go SEA)

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