UCSF

ZINC22782528

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 3.53 8.77 -36.81 2 3 1 28 349.498 4
Mid Mid (pH 6-8) 3.53 7.19 -4.81 1 3 0 27 348.49 4
Mid Mid (pH 6-8) 3.53 9.55 -42.56 2 3 1 28 349.498 4

Activity (Go SEA)

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