UCSF

ZINC57531717

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 21 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) 3.47 8.18 -12.09 1 3 0 42 282.387 4
Lo Low (pH 4.5-6) 3.47 8.54 -36.32 2 3 1 43 283.395 4

Activity (Go SEA)

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