UCSF

ZINC37034503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 3.56 6.87 -11.83 1 3 0 46 325.162 1
Hi High (pH 8-9.5) 4.02 4.77 -43.63 0 3 -1 49 324.154 1

Activity (Go SEA)

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