UCSF

ZINC35409081

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) -1.90 2.05 -75.7 2 8 -1 128 278.244 4
Mid Mid (pH 6-8) -1.44 -0.09 -133.38 1 8 -2 131 277.236 4

Activity (Go SEA)

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