UCSF

ZINC20865898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 2.83 6.94 -7.32 0 4 0 52 267.332 4
Lo Low (pH 4.5-6) 2.83 7.39 -34.73 1 4 1 53 268.34 4

Activity (Go SEA)

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