UCSF

ZINC01080277

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 26 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) 4.88 -3.91 -13.53 2 5 0 74 405.932 4
Hi High (pH 8-9.5) 5.33 6.49 -48.07 1 5 -1 78 404.924 4

Activity (Go SEA)

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