UCSF

ZINC41719596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 4.37 9.84 -47.82 0 3 -1 53 314.773 3
Lo Low (pH 4.5-6) 4.37 10.26 -38.46 1 3 0 54 315.781 3

Activity (Go SEA)

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