UCSF

ZINC21143610

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 28 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) 4.06 11.09 -14.08 1 5 0 69 368.44 4
Lo Low (pH 4.5-6) 4.06 11.54 -32.35 2 5 1 70 369.448 4

Activity (Go SEA)

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