UCSF

ZINC43264846

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 19 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) 3.10 4.5 -49.52 3 4 1 55 343.222 4
Hi High (pH 8-9.5) 3.10 4.2 -6.26 2 4 0 54 342.214 4

Activity (Go SEA)

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