UCSF

ZINC35257782

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 4.79 8.6 -47.58 2 1 1 17 343.232 4
Hi High (pH 8-9.5) 4.79 7.55 -3.65 1 1 0 12 342.224 4

Activity (Go SEA)

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