UCSF

ZINC20247380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 Yes

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) 4.56 8.52 -12.03 1 7 0 63 482.408 9
Mid Mid (pH 6-8) 4.56 10.85 -45.21 2 7 1 64 483.416 9

Activity (Go SEA)

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