UCSF

ZINC35254843

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 3.42 8.11 -48.22 2 3 1 35 355.227 6
Hi High (pH 8-9.5) 3.42 6.75 -7.96 1 3 0 30 354.219 6

Activity (Go SEA)

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