UCSF

ZINC38277314

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) 4.70 11.01 -61.99 0 6 -1 79 448.539 8
Lo Low (pH 4.5-6) 4.70 10.25 -12.73 1 6 0 76 449.547 8

Activity (Go SEA)

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