UCSF

ZINC03665407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 28 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) 4.27 0.17 -14.36 1 4 0 37 411.958 8
Lo Low (pH 4.5-6) 4.27 0.28 -52.37 2 4 1 38 412.966 8

Activity (Go SEA)

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