UCSF

ZINC48442495

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 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) 4.38 5.68 -12.15 2 4 0 59 291.734 4
Hi High (pH 8-9.5) 4.38 6.69 -54.48 1 4 -1 61 290.726 4

Activity (Go SEA)

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