UCSF

ZINC21810664

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 3.11 9.63 -47.13 2 7 1 72 415.558 7
Hi High (pH 8-9.5) 3.11 7.33 -9.86 1 7 0 71 414.55 7

Activity (Go SEA)

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