UCSF

ZINC27907408

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 25 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) 2.50 7.38 -50.36 4 5 1 77 338.431 7
Hi High (pH 8-9.5) 2.50 5.26 -16.98 3 5 0 75 337.423 7

Activity (Go SEA)

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