UCSF

ZINC31958837

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.52 6.7 -62.8 4 5 1 74 309.393 4
Mid Mid (pH 6-8) 2.52 6.32 -17.77 3 5 0 72 308.385 4
Mid Mid (pH 6-8) 2.52 7.12 -92.51 5 5 2 75 310.401 4

Activity (Go SEA)

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