UCSF

ZINC44510525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 20 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) 3.33 8.75 -8.97 0 3 0 27 296.773 4
Lo Low (pH 4.5-6) 3.33 9.24 -27.79 1 3 1 28 297.781 4

Activity (Go SEA)

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