UCSF

ZINC34680246

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 3.71 10.63 -10.44 1 4 0 47 375.497 5
Lo Low (pH 4.5-6) 3.71 11.09 -46 2 4 1 48 376.505 5

Activity (Go SEA)

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