UCSF

ZINC20494863

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 31 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) 4.64 12.25 -13.56 1 4 0 28 471.976 10
Mid Mid (pH 6-8) 4.64 14.58 -48.14 2 4 1 29 472.984 10

Activity (Go SEA)

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