UCSF

ZINC42863616

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 13 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) 0.53 0.9 -41.41 3 3 1 44 200.331 4
Hi High (pH 8-9.5) 0.52 2.36 -27.08 3 3 1 43 200.331 4
Lo Low (pH 4.5-6) 0.53 2.83 -111.84 4 3 2 45 201.339 4

Activity (Go SEA)

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