UCSF

ZINC42459935

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 2.55 6.41 -77.6 5 4 2 69 258.369 4
Hi High (pH 8-9.5) 1.67 6.19 -84.47 6 4 2 71 258.369 3

Activity (Go SEA)

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