UCSF

ZINC36222045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 2.99 7.83 -23.18 3 4 1 54 254.313 2
Mid Mid (pH 6-8) 2.99 7.5 -13.25 2 4 0 53 253.305 2

Activity (Go SEA)

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