UCSF

ZINC67472625

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 15 No

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) 1.18 7 -95.41 3 2 2 21 230.421 4
Hi High (pH 8-9.5) 1.18 4.48 -40.15 2 2 1 20 229.413 4

Activity (Go SEA)

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