UCSF

ZINC37468810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 3.37 5.5 -34.55 3 4 1 55 283.436 7
Hi High (pH 8-9.5) 3.37 4.23 -6.22 2 4 0 50 282.428 7

Activity (Go SEA)

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