UCSF

ZINC05869455

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 6.12 12.13 -37.18 0 3 -1 44 385.94 7
Lo Low (pH 4.5-6) 6.12 12.66 -11.66 1 3 0 41 386.948 7

Activity (Go SEA)

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