UCSF

ZINC61838345

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2011 13 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) 0.65 4.26 -54.55 3 1 1 28 190.188 2
Hi High (pH 8-9.5) 0.65 3.92 -5.44 2 1 0 26 189.18 2

Activity (Go SEA)

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