UCSF

ZINC44659230

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 1.37 2.92 -38.13 2 3 1 29 215.361 6
Hi High (pH 8-9.5) 1.37 3.78 -33.75 2 3 1 26 215.361 6

Activity (Go SEA)

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