UCSF

ZINC36148256

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 1.89 3.48 -43.49 2 4 1 38 275.372 1
Hi High (pH 8-9.5) 1.89 2.06 -3.93 1 4 0 34 274.364 1
Lo Low (pH 4.5-6) 1.89 5.29 -104.87 3 4 2 40 276.38 1

Activity (Go SEA)

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