UCSF

ZINC34824312

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 20 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) 3.17 10.39 -92.78 3 3 2 24 342.325 4
Hi High (pH 8-9.5) 3.17 8.4 -39.48 2 3 1 23 341.317 4

Activity (Go SEA)

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