UCSF

ZINC20996220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 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) 3.04 8.74 -93.15 4 5 2 53 409.018 8
Mid Mid (pH 6-8) 3.04 6.84 -34.49 3 5 1 49 408.01 8
Mid Mid (pH 6-8) 3.04 7.58 -37.69 3 5 1 49 408.01 8

Activity (Go SEA)

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