UCSF

ZINC48303287

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 23 Yes

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) 2.00 4.82 -14.29 1 6 0 74 314.341 2
Hi High (pH 8-9.5) 2.00 5.7 -56.28 0 6 -1 77 313.333 2

Activity (Go SEA)

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