UCSF

ZINC23053747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 29 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) 5.26 11.42 -47.13 2 4 1 46 428.647 9
Hi High (pH 8-9.5) 5.26 9.34 -15.66 1 4 0 45 427.639 9

Activity (Go SEA)

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