UCSF

ZINC04424136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 29 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) 4.74 12.34 -14.02 1 7 0 82 395.507 7
Mid Mid (pH 6-8) 5.08 11.28 -30.6 2 7 1 87 396.515 7

Activity (Go SEA)

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