UCSF

ZINC44898332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 3.14 8.27 -40.76 2 3 1 34 265.352 6
Hi High (pH 8-9.5) 2.96 7.84 -27.77 1 3 0 40 264.344 6

Activity (Go SEA)

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