UCSF

ZINC22779754

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 No

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) 3.12 7.75 -9.89 0 5 0 36 401.938 7
Mid Mid (pH 6-8) 3.12 10.02 -43.97 1 5 1 37 402.946 7

Activity (Go SEA)

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