UCSF

ZINC21985219

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 26 Yes

CAS Numbers: 79660-72-3 , [79660-72-3]

Other Names:

MFCD00864880

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) 1.44 6.32 -78.31 1 6 0 68 371.359 4
Mid Mid (pH 6-8) 1.44 3.85 -47.7 0 6 -1 67 370.351 4

Activity (Go SEA)

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