UCSF

ZINC42420201

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.57 6.75 -82.84 2 5 0 77 256.346 5
Hi High (pH 8-9.5) 0.57 5.51 -60.64 1 5 -1 72 255.338 5
Lo Low (pH 4.5-6) 0.57 4.35 -45.03 3 5 1 74 257.354 5

Activity (Go SEA)

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