UCSF

ZINC35017240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 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) 2.55 5.78 -12.62 3 6 0 80 350.44 8
Mid Mid (pH 6-8) 1.80 4.64 -36.77 2 6 -1 86 349.432 7

Activity (Go SEA)

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