UCSF

ZINC36126447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.78 3.69 -45.74 1 5 1 45 332.515 5
Hi High (pH 8-9.5) 1.78 1.28 -8.77 0 5 0 44 331.507 5

Activity (Go SEA)

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