UCSF

ZINC34441756

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.01 7.35 -7.43 2 3 0 41 288.35 1
Mid Mid (pH 6-8) 4.01 8.68 -48.25 3 3 1 46 289.358 1

Activity (Go SEA)

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