UCSF

ZINC49001290

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.87 8.13 -52.52 2 4 1 57 260.361 5
Mid Mid (pH 6-8) 2.87 6.29 -11.47 1 4 0 56 259.353 5

Activity (Go SEA)

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