UCSF

ZINC37870602

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) -1.59 -0.87 -11.55 4 3 0 69 186.161 2
Mid Mid (pH 6-8) -1.59 -0.54 -53.9 5 3 1 71 187.169 2

Activity (Go SEA)

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