UCSF

ZINC36159702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 1.88 6.73 -55.5 3 7 1 93 404.512 9
Hi High (pH 8-9.5) 2.34 4.08 -47.07 2 7 0 96 403.504 9

Activity (Go SEA)

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