UCSF

ZINC39724873

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 23 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) 4.59 6.26 -15.6 2 5 0 71 442.107 5
Hi High (pH 8-9.5) 4.59 7.18 -51.57 1 5 -1 74 441.099 5

Activity (Go SEA)

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