UCSF

ZINC05318633

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 17 No

Other Names:

MFCD01419544

MFCD02674827

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) -2.73 -1.2 -34.86 0 3 1 20 231.319 3
Mid Mid (pH 6-8) -2.73 2.14 -108.77 1 3 2 21 232.327 3

Activity (Go SEA)

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