UCSF

ZINC44850131

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) 2.55 6.49 -39.58 4 4 1 60 314.519 9
Hi High (pH 8-9.5) 2.40 5.82 -28.37 3 4 0 66 313.511 9

Activity (Go SEA)

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