UCSF

ZINC00330876

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 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) 3.66 -2.02 -5.55 0 1 0 12 329.817 1
Lo Low (pH 4.5-6) 3.66 -1.91 -28.33 1 1 1 14 330.825 1

Activity (Go SEA)

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