UCSF

ZINC20180917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 0.14 3.59 -12.41 0 4 0 47 209.293 3
Lo Low (pH 4.5-6) 0.14 5.91 -60.83 1 4 1 49 210.301 3

Activity (Go SEA)

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