UCSF

ZINC25058775

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 28 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) 2.29 7.44 -11.96 0 6 0 61 401.532 6
Mid Mid (pH 6-8) 2.29 9.38 -51.19 1 6 1 62 402.54 6

Activity (Go SEA)

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