UCSF

ZINC43460790

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 2.47 4.65 -10.22 1 4 0 52 285.343 3
Lo Low (pH 4.5-6) 2.47 5.12 -38.56 2 4 1 53 286.351 3

Activity (Go SEA)

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