UCSF

ZINC42278816

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 2.31 3.48 -46.15 3 2 1 31 245.799 3
Hi High (pH 8-9.5) 2.31 3.8 -1.98 2 2 0 29 244.791 3
Lo Low (pH 4.5-6) 2.31 5.81 -119.87 4 2 2 32 246.807 3

Activity (Go SEA)

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