UCSF

ZINC48367516

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 26 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) 3.53 9.62 -11.08 1 4 0 51 346.43 8
Lo Low (pH 4.5-6) 3.53 10.09 -40.02 2 4 1 52 347.438 8

Activity (Go SEA)

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