UCSF

ZINC42821663

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.01 5.53 -31.41 2 3 1 26 227.372 5
Hi High (pH 8-9.5) 2.00 4.24 -36 2 3 1 29 227.372 5
Hi High (pH 8-9.5) 2.00 3.02 -1.83 1 3 0 24 226.364 5
Lo Low (pH 4.5-6) 2.01 6.75 -108.43 3 3 2 30 228.38 5

Activity (Go SEA)

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