UCSF

ZINC17751311

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 20 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) 3.08 8.35 -11.49 0 4 0 48 269.3 5
Lo Low (pH 4.5-6) 3.08 8.7 -39.11 1 4 1 50 270.308 5
Lo Low (pH 4.5-6) 3.08 7.99 -40.94 1 4 1 50 270.308 5

Activity (Go SEA)

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