UCSF

ZINC34331924

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) 2.75 6.64 -43.17 2 3 1 29 299.369 1
Hi High (pH 8-9.5) 2.75 5.3 -4.33 1 3 0 24 298.361 1

Activity (Go SEA)

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