UCSF

ZINC22455422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 19 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) 3.29 10.01 -103.21 3 2 2 21 266.404 6
Mid Mid (pH 6-8) 3.29 7.64 -38.41 2 2 1 20 265.396 6

Activity (Go SEA)

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