UCSF

ZINC33942251

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 23 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) 2.64 5.39 -11.75 2 5 0 79 334.803 2
Hi High (pH 8-9.5) 2.64 5.85 -49.49 1 5 -1 82 333.795 2
Hi High (pH 8-9.5) 2.64 6.51 -60.02 1 5 -1 82 333.795 2

Activity (Go SEA)

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