UCSF

ZINC26011371

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 34 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) 2.95 11.12 -131.39 3 6 3 23 477.806 8
Hi High (pH 8-9.5) 2.95 11.15 -158.05 3 6 3 23 477.806 8
Hi High (pH 8-9.5) 2.95 8.81 -71.81 2 6 2 22 476.798 8

Activity (Go SEA)

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