UCSF

ZINC43479297

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 Yes

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) 3.55 8.85 -46.31 2 3 1 39 305.829 8
Lo Low (pH 4.5-6) 3.55 9.3 -86.6 3 3 2 40 306.837 8

Activity (Go SEA)

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