UCSF

ZINC66115686

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 22 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) 1.96 6.13 -33.35 2 5 1 54 310.414 10
Hi High (pH 8-9.5) 1.96 4.7 -7.8 1 5 0 49 309.406 10

Activity (Go SEA)

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