UCSF

ZINC43447909

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 0.85 4.72 -41.85 2 4 1 40 256.414 7
Hi High (pH 8-9.5) 0.85 5.76 -40.6 2 4 1 37 256.414 7
Lo Low (pH 4.5-6) 0.85 6.93 -107.9 3 4 2 41 257.422 7

Activity (Go SEA)

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