UCSF

ZINC60177412

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 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) 5.92 16.89 -106.97 2 4 2 27 458.646 5
Hi High (pH 8-9.5) 5.92 14.67 -42.34 1 4 1 26 457.638 5

Activity (Go SEA)

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