UCSF

ZINC40038124

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.57 8.1 -12.51 1 5 0 68 315.398 3
Hi High (pH 8-9.5) 3.64 6.34 -52.1 0 5 -1 74 314.39 3

Activity (Go SEA)

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