UCSF

ZINC40854335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) 0.81 1.33 -65.75 6 5 1 100 270.312 4
Hi High (pH 8-9.5) 0.81 0.92 -19.88 5 5 0 98 269.304 4

Activity (Go SEA)

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