UCSF

ZINC35636656

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 32 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) 5.84 12.6 -49.88 2 8 1 95 449.568 13
Hi High (pH 8-9.5) 5.84 9.73 -13.55 1 8 0 94 448.56 13

Activity (Go SEA)

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