UCSF

ZINC42175562

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 14 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) 0.45 5.33 -9.4 3 4 0 60 210.306 1
Hi High (pH 8-9.5) 1.18 5.5 -42.35 2 4 -1 57 209.298 1

Activity (Go SEA)

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