UCSF

ZINC04884777

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 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) 3.57 7.81 -15.52 1 6 0 76 400.5 6
Hi High (pH 8-9.5) 3.57 7.84 -53.89 0 6 -1 78 399.492 6

Activity (Go SEA)

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