UCSF

ZINC36359250

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 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) 3.82 7.41 -12.52 1 6 0 69 417.387 5
Ref Reference (pH 7) 3.63 10.09 -12.82 1 6 0 65 417.387 5
Lo Low (pH 4.5-6) 3.63 10.55 -41.58 2 6 1 67 418.395 5

Activity (Go SEA)

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