UCSF

ZINC20729540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 30 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) 2.40 8.95 -16.43 1 8 0 95 425.514 5
Ref Reference (pH 7) 2.21 11.37 -15.36 1 8 0 91 425.514 5

Activity (Go SEA)

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