UCSF

ZINC37094769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.12 3.97 -108.62 4 3 2 35 227.396 5
Hi High (pH 8-9.5) 1.12 1.55 -43.19 3 3 1 34 226.388 5
Hi High (pH 8-9.5) 1.12 3.85 -33.56 3 3 1 34 226.388 5
Mid Mid (pH 6-8) 1.12 3.06 -114.86 4 3 2 35 227.396 5
Lo Low (pH 4.5-6) 1.12 5.49 -215.39 5 3 3 37 228.404 5

Activity (Go SEA)

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