UCSF

ZINC36338942

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 31 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) 0.34 6.02 -18.89 0 9 0 92 426.473 5
Lo Low (pH 4.5-6) 0.34 6.48 -51.77 1 9 1 94 427.481 5

Activity (Go SEA)

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