UCSF

ZINC39975203

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 18 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) 3.41 8.45 -33.41 1 2 1 8 267.824 4
Mid Mid (pH 6-8) 3.41 8.73 -37.22 1 2 1 8 267.824 4
Mid Mid (pH 6-8) 3.41 6.47 -2.07 0 2 0 6 266.816 4

Activity (Go SEA)

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