UCSF

ZINC42462107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.98 6.93 -36.91 1 3 1 31 250.41 2
Hi High (pH 8-9.5) 2.98 4.81 -6.71 0 3 0 30 249.402 2

Activity (Go SEA)

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