UCSF

ZINC28244895

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 24 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) 1.01 8.51 -48.97 1 6 1 55 328.44 2
Mid Mid (pH 6-8) 1.01 6.25 -10.48 0 6 0 54 327.432 2

Activity (Go SEA)

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