UCSF

ZINC60697076

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 12 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) 1.66 2.85 -42.58 3 2 1 37 206.718 4
Hi High (pH 8-9.5) 1.66 2.48 -4.18 2 2 0 35 205.71 4

Activity (Go SEA)

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