UCSF

ZINC44891971

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 3.01 5.73 -39.82 4 5 1 77 336.431 6
Hi High (pH 8-9.5) 3.01 3.73 -13.43 3 5 0 75 335.423 6

Activity (Go SEA)

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