UCSF

ZINC22007835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 24 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) 0.81 4.6 -39.86 4 6 1 83 334.44 6
Hi High (pH 8-9.5) 0.81 2.39 -15.1 3 6 0 82 333.432 6

Activity (Go SEA)

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