UCSF

ZINC40923837

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 18 No

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) -1.04 -2.76 -49.62 5 7 1 106 255.298 1
Hi High (pH 8-9.5) -0.85 -5.4 -69.93 4 7 0 112 254.29 1

Activity (Go SEA)

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