UCSF

ZINC09511924

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 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) 5.17 -2.08 -19.56 2 7 0 97 478.57 7
Hi High (pH 8-9.5) 5.17 -1.63 -49.73 1 7 -1 99 477.562 7

Activity (Go SEA)

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