UCSF

ZINC34856515

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 6.21 12.85 -16.37 1 6 0 75 451.036 12
Hi High (pH 8-9.5) 6.40 11.4 -41.67 0 6 -1 82 450.028 12

Activity (Go SEA)

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