UCSF

ZINC05568304

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 18 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) 3.82 7.59 -55.62 2 3 0 34 310.632 5
Mid Mid (pH 6-8) 3.82 7.48 -4.87 1 3 0 32 309.624 5

Activity (Go SEA)

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