UCSF

ZINC34675360

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 4.88 15.13 -11.37 0 7 0 59 456.594 5
Mid Mid (pH 6-8) 4.88 17.38 -51.06 1 7 1 60 457.602 5

Activity (Go SEA)

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