UCSF

ZINC31829305

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 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) 2.31 3.62 -46.82 3 3 1 40 253.341 4
Mid Mid (pH 6-8) 2.31 5.84 -34.96 3 3 1 40 253.341 4
Mid Mid (pH 6-8) 2.31 6.04 -116.92 4 3 2 41 254.349 4

Activity (Go SEA)

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