UCSF

ZINC34359729

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 25 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) 4.22 8.01 -50.79 4 5 1 67 466.221 7
Hi High (pH 8-9.5) 4.22 6.55 -16.23 3 5 0 62 465.213 7

Activity (Go SEA)

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