UCSF

ZINC37460197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 15 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) -2.19 -1.47 -50.59 5 5 1 89 211.241 4
Mid Mid (pH 6-8) -2.19 -1.79 -10.92 4 5 0 88 210.233 4

Activity (Go SEA)

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