UCSF

ZINC33809854

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 2.34 7.97 -17.5 1 5 0 79 320.805 5
Mid Mid (pH 6-8) 2.41 7.08 -41.54 0 5 -1 85 319.797 5

Activity (Go SEA)

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