UCSF

ZINC42458834

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 1.57 4.36 -118.24 4 3 2 41 204.358 9
Hi High (pH 8-9.5) 1.57 3.62 -29.87 3 3 1 40 203.35 9
Hi High (pH 8-9.5) 1.57 2.07 -36.85 3 3 1 40 203.35 9

Activity (Go SEA)

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