UCSF

ZINC20731347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 29 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) 1.98 7.81 -21.47 1 8 0 95 393.447 5
Ref Reference (pH 7) 1.80 10.54 -20.25 1 8 0 91 393.447 5

Activity (Go SEA)

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