UCSF

ZINC09514315

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 35 Yes

Download: MOL2 SDF SMILES Flexibase

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) 6.12 -6.82 -14.65 2 7 0 101 508.621 8
Hi High (pH 8-9.5) 6.12 -6.24 -48.06 1 7 -1 103 507.613 8
Hi High (pH 8-9.5) 6.12 -5.67 -90 0 7 -2 105 506.605 8

Activity (Go SEA)

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