UCSF

ZINC34614519

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) 3.16 6.74 -4.14 1 2 0 21 239.318 3
Mid Mid (pH 6-8) 3.16 7.95 -45.3 2 2 1 26 240.326 3

Activity (Go SEA)

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