UCSF

ZINC34676908

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 4.57 15.73 -100.29 3 8 2 70 465.646 4
Hi High (pH 8-9.5) 4.57 15.5 -42.85 2 8 1 69 464.638 4
Hi High (pH 8-9.5) 4.57 13.57 -33.97 2 8 1 69 464.638 4
Hi High (pH 8-9.5) 4.57 13.35 -11.13 1 8 0 68 463.63 4

Activity (Go SEA)

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