UCSF

ZINC03873382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 29 No

CAS Numbers: 103300-74-9 , 201677-75-0

Other Names:

Taltirelin Hydrate

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) -0.63 -1.04 -27.55 5 12 0 171 405.415 6
Mid Mid (pH 6-8) -0.63 0.8 -46.14 6 12 1 172 406.423 6
Mid Mid (pH 6-8) -0.63 0.18 -51.4 6 12 1 172 406.423 6

Activity (Go SEA)

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