UCSF

ZINC09187243

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 31 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) 4.70 2.19 -13.05 0 6 0 72 432.863 3
Lo Low (pH 4.5-6) 4.70 2.35 -33.63 1 6 1 73 433.871 3

Activity (Go SEA)

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