UCSF

ZINC14806651

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 12 No

CAS Numbers: 1140844-63-8 , 189302-40-7

Other Names:

nor-NOHA (acetate)

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) -3.98 -1.51 -45.42 7 7 0 138 176.176 5
Hi High (pH 8-9.5) -3.98 -1.8 -49.58 7 7 0 138 176.176 5
Hi High (pH 8-9.5) -3.98 -1.78 -41.83 6 7 -1 137 175.168 5
Hi High (pH 8-9.5) -3.98 -1.77 -43.41 6 7 -1 137 175.168 5

Activity (Go SEA)

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