UCSF

ZINC18236576

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 23 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) 1.42 6.95 -13.58 1 5 0 60 310.332 4
Mid Mid (pH 6-8) 1.42 7.41 -29.67 2 5 1 61 311.34 4

Activity (Go SEA)

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