UCSF

ZINC20398429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 2.23 8.86 -116.91 4 3 2 35 311.473 6
Mid Mid (pH 6-8) 2.23 6.54 -46.24 3 3 1 34 310.465 6
Mid Mid (pH 6-8) 2.23 8.47 -122.57 4 3 2 35 311.473 6

Activity (Go SEA)

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