UCSF

ZINC28239775

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 23 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) 4.13 7.78 -8.48 1 3 0 41 326.827 3
Mid Mid (pH 6-8) 4.13 8.54 -31.1 2 3 1 43 327.835 3

Activity (Go SEA)

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