UCSF

ZINC37853657

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.37 0.64 -5.7 2 3 0 41 185.267 7
Mid Mid (pH 6-8) 0.37 2.02 -40.94 3 3 1 46 186.275 7

Activity (Go SEA)

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