UCSF

ZINC33670364

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 35 No

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) 4.65 12.82 -43.87 0 6 -1 79 470.545 8
Lo Low (pH 4.5-6) 4.65 11.68 -18.98 1 6 0 76 471.553 8

Activity (Go SEA)

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