UCSF

ZINC16666713

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 25 No

Other Names:

MFCD01363432

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) 5.49 10.39 -9.84 1 4 0 50 367.861 2
Ref Reference (pH 7) 5.49 10.66 -9.57 1 4 0 50 367.861 2
Hi High (pH 8-9.5) 5.95 9.11 -45.04 0 4 -1 53 366.853 2
Hi High (pH 8-9.5) 5.95 8.63 -47.84 0 4 -1 53 366.853 2

Activity (Go SEA)

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