UCSF

ZINC43709624

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) 0.39 4.41 -53.54 2 5 1 55 265.333 4
Hi High (pH 8-9.5) 0.39 3.05 -12.25 1 5 0 51 264.325 4

Activity (Go SEA)

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