UCSF

ZINC33584204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 35 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) 2.98 8.56 -14.94 0 10 0 118 479.489 7
Mid Mid (pH 6-8) 2.98 10.89 -51.77 1 10 1 119 480.497 7

Activity (Go SEA)

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