UCSF

ZINC40803441

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 17 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) 0.55 4.11 -14.81 1 6 0 73 251.315 3
Hi High (pH 8-9.5) 0.61 2.25 -45.49 0 6 -1 79 250.307 3

Activity (Go SEA)

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