UCSF

ZINC49545425

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) 4.11 7.78 -36.54 3 3 1 46 283.48 8
Hi High (pH 8-9.5) 4.11 6.79 -6.9 2 3 0 41 282.472 8

Activity (Go SEA)

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