UCSF

ZINC15011743

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 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) 5.81 11.36 -9.44 1 4 0 54 360.438 3
Ref Reference (pH 7) 5.81 10.95 -9.43 1 4 0 54 360.438 3
Ref Reference (pH 7) 5.32 10.85 -45.46 0 4 -1 53 359.43 4

Activity (Go SEA)

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