UCSF

ZINC52289388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 12 No

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) 0.54 2.43 -39.29 3 3 1 46 187.288 2
Mid Mid (pH 6-8) 0.54 1.24 -9.09 2 3 0 41 186.28 2

Activity (Go SEA)

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