UCSF

ZINC25497400

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 4.26 9.7 -12.71 2 5 0 71 308.385 5
Mid Mid (pH 6-8) 4.26 10.12 -42.98 3 5 1 72 309.393 5

Activity (Go SEA)

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