UCSF

ZINC09234599

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 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) 2.40 0.22 -10.77 0 4 0 51 316.769 2
Lo Low (pH 4.5-6) 2.40 0.33 -41.24 1 4 1 53 317.777 2

Activity (Go SEA)

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