UCSF

ZINC07976127

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 24 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) 3.18 5.58 -16.02 3 6 0 92 324.336 4
Hi High (pH 8-9.5) 3.18 6.59 -55.58 2 6 -1 94 323.328 4

Activity (Go SEA)

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