UCSF

ZINC45369597

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 32 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) 6.78 11.92 -16.67 1 7 0 104 466.588 4
Hi High (pH 8-9.5) 7.23 10.03 -45.88 0 7 -1 107 465.58 4

Activity (Go SEA)

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