UCSF

ZINC06550489

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 26 No

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) 5.11 10.66 -17.03 1 6 0 88 383.816 3
Hi High (pH 8-9.5) 5.18 9.05 -44.27 0 6 -1 94 382.808 3

Activity (Go SEA)

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