UCSF

ZINC04899714

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 14 Yes

CAS Numbers: 15266-88-3 , [15266-88-3]

Other Names:

MFCD00237614

SS-0929

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) -1.09 -0.97 -12.8 3 6 0 87 194.194 2
Mid Mid (pH 6-8) -1.09 -0.45 -43.01 4 6 1 88 195.202 2

Activity (Go SEA)

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