UCSF

ZINC45694071

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.37 5.09 -41.02 4 6 1 79 266.369 7
Hi High (pH 8-9.5) 0.37 2.64 -6.62 3 6 0 78 265.361 7

Activity (Go SEA)

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