UCSF

ZINC09306440

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 26 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) 0.54 4.42 -12.74 2 7 0 91 372.812 5
Ref Reference (pH 7) 0.54 4.43 -12.39 2 7 0 91 372.812 5
Lo Low (pH 4.5-6) 0.54 4.7 -41.92 3 7 1 93 373.82 5

Activity (Go SEA)

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