UCSF

ZINC43408417

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 No

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) 2.16 6.6 -15.72 3 4 0 64 298.415 5
Mid Mid (pH 6-8) 2.16 6.93 -36.2 4 4 1 65 299.423 5
Lo Low (pH 4.5-6) 2.16 7.28 -90.49 5 4 2 66 300.431 5

Activity (Go SEA)

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