UCSF

ZINC47953339

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 15 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) 0.82 1.8 -39.88 2 5 1 64 214.289 7
Hi High (pH 8-9.5) 0.82 -0.66 -8.52 1 5 0 62 213.281 7

Activity (Go SEA)

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