UCSF

ZINC31866885

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 1.14 3.38 -9.15 1 6 0 96 206.157 1
Hi High (pH 8-9.5) 1.60 2.48 -40.26 0 6 -1 99 205.149 1

Activity (Go SEA)

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