UCSF

ZINC57395800

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 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) 3.58 8.79 -6.45 1 3 0 53 280.302 3
Hi High (pH 8-9.5) 3.76 7.36 -37.62 0 3 -1 59 279.294 3

Activity (Go SEA)

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