UCSF

ZINC37032642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.77 -0.93 -50.79 6 5 1 100 222.268 4
Hi High (pH 8-9.5) -0.77 -1.26 -16.71 5 5 0 98 221.26 4

Activity (Go SEA)

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