UCSF

ZINC37039951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.22 3.54 -93.14 4 4 2 45 257.422 6
Hi High (pH 8-9.5) 0.22 1.63 -42.6 3 4 1 43 256.414 6
Lo Low (pH 4.5-6) 0.22 5.82 -179.05 5 4 3 46 258.43 6

Activity (Go SEA)

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