UCSF

ZINC19266341

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 19 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) -0.09 5.23 -103.05 4 4 2 48 261.369 3
Mid Mid (pH 6-8) -0.09 2.77 -44.13 3 4 1 47 260.361 3

Activity (Go SEA)

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