UCSF

ZINC33334342

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 25 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) 4.49 8.66 -36.24 0 5 -1 70 355.37 5
Ref Reference (pH 7) 4.98 9.19 -12.34 1 5 0 72 356.378 4

Activity (Go SEA)

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