UCSF

ZINC42404155

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 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) 3.60 7.79 -9.64 1 3 0 46 260.724 1
Hi High (pH 8-9.5) 4.06 6.3 -53.23 0 3 -1 49 259.716 1

Activity (Go SEA)

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