UCSF

ZINC19504895

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) 0.90 7.38 -50.87 1 4 1 49 244.318 2
Mid Mid (pH 6-8) 0.90 5.13 -11.87 0 4 0 47 243.31 2

Activity (Go SEA)

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