UCSF

ZINC42767937

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.01 4.48 -34.72 4 4 1 64 304.336 8
Lo Low (pH 4.5-6) 2.01 6.31 -83.66 5 4 2 65 305.344 8

Activity (Go SEA)

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