UCSF

ZINC38148046

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 30 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) 3.99 8.14 -12.94 2 7 0 79 468.355 6
Lo Low (pH 4.5-6) 3.99 10.42 -44.68 3 7 1 81 469.363 6

Activity (Go SEA)

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