UCSF

ZINC43709068

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) 1.08 4.67 -52.19 3 7 1 101 331.146 3
Hi High (pH 8-9.5) 1.08 3.32 -7.72 2 7 0 96 330.138 3

Activity (Go SEA)

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