UCSF

ZINC36288886

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 1.91 -2.55 -43.42 3 6 -1 108 298.369 3
Mid Mid (pH 6-8) 1.45 -0.25 -42.78 3 6 -1 107 298.369 3
Mid Mid (pH 6-8) 1.45 -0.43 -11.02 4 6 0 105 299.377 3

Activity (Go SEA)

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