UCSF

ZINC03999316

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 14 No

Popular Name: N-nitrosoanabasine N-nitrosoanabasine

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CAS Number: 37620-20-5

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) 1.40 4 -9.48 0 4 0 46 191.234 2 ↓
Lo Low (pH 4.5-6) 1.40 4.29 -33.67 1 4 1 47 192.242 2 ↓

Activity (Go SEA)

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