UCSF

ZINC24912265

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 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) 2.30 5.89 -51.66 2 6 1 57 397.524 3
Mid Mid (pH 6-8) 2.30 3.69 -14.16 1 6 0 56 396.516 3

Activity (Go SEA)

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