UCSF

ZINC57516779

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 18 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) -0.16 7.45 -54.41 0 5 -1 80 244.274 2
Mid Mid (pH 6-8) -0.16 7.88 -31.58 1 5 0 81 245.282 2

Activity (Go SEA)

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