UCSF

ZINC00223921

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 2.78 5.81 -15.42 3 6 0 91 337.379 6
Lo Low (pH 4.5-6) 2.78 6.15 -46.02 4 6 1 92 338.387 6

Activity (Go SEA)

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