UCSF

ZINC37827166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 0.67 3.58 -41.25 2 4 1 46 245.368 4
Mid Mid (pH 6-8) 0.67 2.45 -11.62 1 4 0 42 244.36 4

Activity (Go SEA)

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