UCSF

ZINC35342376

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 20 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) 2.35 7.07 -40.66 3 4 1 47 291.444 3
Mid Mid (pH 6-8) 2.35 4.86 -6.54 2 4 0 45 290.436 3

Activity (Go SEA)

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