UCSF

ZINC44259997

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 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) -0.33 -0.15 -52.49 3 5 1 78 248.303 5
Hi High (pH 8-9.5) -0.33 -0.54 -8.23 2 5 0 76 247.295 5

Activity (Go SEA)

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