UCSF

ZINC14125992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2008 23 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) 2.19 4.27 -15.75 2 6 0 78 316.405 6
Mid Mid (pH 6-8) 2.65 3.71 -50.63 2 6 0 82 316.405 6

Activity (Go SEA)

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