UCSF

ZINC31958854

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) 2.32 6.86 -62.19 4 5 1 74 309.393 3
Mid Mid (pH 6-8) 2.32 7.23 -92.59 5 5 2 75 310.401 3
Mid Mid (pH 6-8) 2.32 6.47 -17.31 3 5 0 72 308.385 3

Activity (Go SEA)

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