UCSF

ZINC34560727

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 32 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) 5.26 8.98 -15.17 3 5 0 82 458.823 4
Hi High (pH 8-9.5) 5.26 9.68 -55.45 2 5 -1 85 457.815 4

Activity (Go SEA)

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