UCSF

ZINC37870458

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 1.75 2.5 -40.23 4 4 1 69 275.25 6
Mid Mid (pH 6-8) 1.75 1.57 -9.58 3 4 0 64 274.242 6

Activity (Go SEA)

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