UCSF

ZINC46084728

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 24 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) 4.17 8 -12.57 1 5 0 64 342.782 5
Hi High (pH 8-9.5) 4.17 9.13 -60.66 0 5 -1 67 341.774 5

Activity (Go SEA)

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