UCSF

ZINC44680600

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 0.77 2.45 -44.73 5 7 1 102 377.288 5
Hi High (pH 8-9.5) 0.77 2.17 -34.02 4 7 0 104 376.28 5

Activity (Go SEA)

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