UCSF

ZINC30731123

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 21 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) 2.72 6.5 -40.59 3 4 1 54 291.415 4
Hi High (pH 8-9.5) 2.72 4.31 -11.79 2 4 0 53 290.407 4

Activity (Go SEA)

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