UCSF

ZINC04457846

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 27 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) 2.81 4.58 -13.85 3 8 0 134 359.345 3
Lo Low (pH 4.5-6) 2.81 5.59 -60.94 4 8 1 135 360.353 3

Activity (Go SEA)

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