UCSF

ZINC60697193

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.11 2.75 -42.92 3 3 1 46 196.27 6
Hi High (pH 8-9.5) 1.11 2.35 -5 2 3 0 44 195.262 6

Activity (Go SEA)

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