UCSF

ZINC36664842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 21 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) 6.38 9.31 -5.77 1 2 0 25 282.431 3
Mid Mid (pH 6-8) 6.38 9.73 -28.66 2 2 1 26 283.439 3

Activity (Go SEA)

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