UCSF

ZINC20190113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 3.72 6.51 -36 3 3 1 37 277.432 5
Hi High (pH 8-9.5) 3.72 5.98 -45.12 2 3 0 43 276.424 5
Mid Mid (pH 6-8) 3.72 5.19 -38.29 3 3 1 40 277.432 5

Activity (Go SEA)

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