UCSF

ZINC13582136

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 34 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) 2.09 6.71 -17.21 2 8 0 106 476.558 5
Hi High (pH 8-9.5) 3.00 5.84 -48.92 1 8 -1 109 475.55 5

Activity (Go SEA)

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