UCSF

ZINC37834807

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.54 4.86 -47.78 0 7 -1 89 263.277 4
Lo Low (pH 4.5-6) -0.54 2.88 -12.22 1 7 0 87 264.285 4

Activity (Go SEA)

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