UCSF

ZINC34626286

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 25 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) 3.23 4.87 -14.08 2 6 0 93 342.347 9
Hi High (pH 8-9.5) 3.23 5.64 -55.63 1 6 -1 96 341.339 9

Activity (Go SEA)

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