UCSF

ZINC03632291

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 33 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) 3.99 9.37 -45.26 1 7 -1 82 460.535 7
Mid Mid (pH 6-8) 3.27 9.79 -15.4 2 7 0 85 461.543 7

Activity (Go SEA)

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