UCSF

ZINC39911570

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

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) 3.47 5.75 -18.82 3 8 0 108 463.534 9
Hi High (pH 8-9.5) 3.24 6.15 -55.53 1 8 -1 107 462.526 9
Hi High (pH 8-9.5) 3.24 5.82 -59.96 1 8 -1 107 462.526 9
Hi High (pH 8-9.5) 3.47 6.74 -44.05 2 8 -1 111 462.526 9

Activity (Go SEA)

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