UCSF

ZINC41681169

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 2.84 8.49 -43.61 3 3 1 34 284.424 7
Hi High (pH 8-9.5) 2.84 6 -9.73 2 3 0 32 283.416 7

Activity (Go SEA)

Rings

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