UCSF

ZINC54554482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 20 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) 5.07 8.64 -100.87 4 2 2 33 282.516 3
Hi High (pH 8-9.5) 5.07 7.63 -30.9 3 2 1 29 281.508 3
Hi High (pH 8-9.5) 5.07 7.68 -36.45 3 2 1 29 281.508 3

Activity (Go SEA)

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