UCSF

ZINC05936542

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 27 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) 1.56 3.44 -13.93 3 9 0 146 360.333 3
Lo Low (pH 4.5-6) 1.57 3.66 -61.93 4 9 1 148 361.341 3
Lo Low (pH 4.5-6) 1.56 4.52 -42.64 4 9 1 148 361.341 3

Activity (Go SEA)

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