UCSF

ZINC36784984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 1.51 4.49 -27.83 3 3 1 34 254.442 5
Hi High (pH 8-9.5) 1.51 4.85 -32.63 3 3 1 34 254.442 5
Lo Low (pH 4.5-6) 1.51 4.73 -111.88 4 3 2 35 255.45 5

Activity (Go SEA)

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