UCSF

ZINC37855271

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 12 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) 0.74 0.78 -32.79 2 4 1 50 208.694 4
Hi High (pH 8-9.5) 0.74 -1.64 -5.16 1 4 0 49 207.686 4

Activity (Go SEA)

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