UCSF

ZINC36378581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 11 No

CAS Number: 134-58-7

Other Names:

MFCD00056937

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) -1.10 -1.87 -25.38 1 7 -1 105 149.093 0
Lo Low (pH 4.5-6) -2.36 -0.83 -6.97 2 7 0 108 150.101 0

Activity (Go SEA)

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