UCSF

ZINC35269003

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 27 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) 3.55 4.66 -6.34 2 4 0 47 409.357 6
Mid Mid (pH 6-8) 3.55 6.9 -42.91 3 4 1 48 410.365 6
Mid Mid (pH 6-8) 3.55 6.93 -44.02 3 4 1 48 410.365 6

Activity (Go SEA)

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