UCSF

ZINC27639865

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 27 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) 2.71 7.51 -55.83 2 5 -1 98 373.469 11
Lo Low (pH 4.5-6) 2.71 6.39 -16.23 3 5 0 95 374.477 11

Activity (Go SEA)

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