UCSF

ZINC37843421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.85 5.33 -49.66 2 4 1 51 291.824 7
Hi High (pH 8-9.5) 1.85 3.02 -42.29 0 4 -1 51 289.808 7
Mid Mid (pH 6-8) 1.85 5.49 -54.43 1 4 0 53 290.816 7

Activity (Go SEA)

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