UCSF

ZINC04822639

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 25 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) 1.96 9.15 -12.97 0 5 0 61 332.359 1
Lo Low (pH 4.5-6) 1.96 9.4 -45.32 1 5 1 62 333.367 1

Activity (Go SEA)

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