UCSF

ZINC48313242

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) 3.88 13.24 -12.64 0 3 0 33 344.458 6
Lo Low (pH 4.5-6) 3.88 13.71 -48.24 1 3 1 34 345.466 6

Activity (Go SEA)

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