UCSF

ZINC36297835

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 15 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) -1.03 -3.73 -54.56 5 6 1 107 252.341 5
Mid Mid (pH 6-8) -0.57 -6.02 -71.69 4 6 0 110 251.333 5

Activity (Go SEA)

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