UCSF

ZINC60047631

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 37 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) 2.59 9.12 -36.94 3 10 1 118 525.711 14
Hi High (pH 8-9.5) 2.59 7.08 -9.74 2 10 0 117 524.703 14
Hi High (pH 8-9.5) 2.77 7.59 -30.04 2 10 0 125 524.703 14
Hi High (pH 8-9.5) 2.77 5.7 -51.04 1 10 -1 124 523.695 14

Activity (Go SEA)

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