UCSF

ZINC19805793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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) 2.32 6.01 -13.15 3 3 0 51 249.383 3
Lo Low (pH 4.5-6) 2.32 6.3 -44.21 4 3 1 52 250.391 3

Activity (Go SEA)

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