UCSF

ZINC35409082

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 2.11 -65.09 2 8 -1 128 278.244 4
Mid Mid (pH 6-8) -1.44 -0.03 -108.62 1 8 -2 131 277.236 4

Activity (Go SEA)

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