UCSF

ZINC23316326

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 31 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) 5.04 12.94 -11.18 0 4 0 33 414.549 6
Lo Low (pH 4.5-6) 5.04 14.53 -48.63 1 4 1 34 415.557 6

Activity (Go SEA)

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