UCSF

ZINC44713068

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) 1.64 4.3 -56.38 1 4 -1 69 229.137 2
Lo Low (pH 4.5-6) 1.64 4.77 -40.37 2 4 0 70 230.145 2

Activity (Go SEA)

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