UCSF

ZINC37839561

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) 1.03 8.51 -17.97 0 4 0 47 247.294 3
Hi High (pH 8-9.5) 2.44 7.45 -54.91 0 4 -1 53 246.286 2

Activity (Go SEA)

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