UCSF

ZINC01778811

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 17 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) 2.92 5.42 -28.62 2 3 1 35 251.737 5
Mid Mid (pH 6-8) 2.92 5.02 -8.81 1 3 0 34 250.729 5

Activity (Go SEA)

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