UCSF

ZINC20247386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 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) 4.46 10.4 -14.18 1 6 0 46 498.476 11
Mid Mid (pH 6-8) 4.46 12.73 -47.18 2 6 1 47 499.484 11

Activity (Go SEA)

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