UCSF

ZINC40934166

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 34 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) 1.79 5.34 -17.58 2 8 0 101 471.46 8
Lo Low (pH 4.5-6) 1.79 7.75 -57.75 3 8 1 102 472.468 8

Activity (Go SEA)

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