UCSF

ZINC36980055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.92 6.48 -37.61 3 4 1 63 280.388 7
Hi High (pH 8-9.5) 3.92 5.7 -5.3 2 4 0 59 279.38 7

Activity (Go SEA)

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