UCSF

ZINC47303723

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 28 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) 3.11 8.22 -49.02 2 6 1 59 397.524 5
Hi High (pH 8-9.5) 3.11 5.84 -14.42 1 6 0 58 396.516 5

Activity (Go SEA)

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