UCSF

ZINC28259271

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 29 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) -0.51 6.84 -101.78 3 9 0 128 403.414 5
Lo Low (pH 4.5-6) -4.09 5.9 -75.21 4 9 1 130 404.422 4

Activity (Go SEA)

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