UCSF

ZINC26381250

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 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) 3.23 8.56 -39.14 2 5 1 54 344.431 8
Hi High (pH 8-9.5) 3.23 7.09 -10.4 1 5 0 49 343.423 8

Activity (Go SEA)

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