UCSF

ZINC33737085

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 37 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) 4.83 9.91 -52.82 0 8 -1 103 499.543 9
Mid Mid (pH 6-8) 4.38 12.35 -16.04 1 8 0 100 500.551 9

Activity (Go SEA)

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