UCSF

ZINC27663626

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 29 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) 3.92 11.04 -12.09 1 6 0 61 387.487 4
Mid Mid (pH 6-8) 3.92 11.29 -37.91 2 6 1 63 388.495 4

Activity (Go SEA)

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