UCSF

ZINC62983252

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 19 Yes

Popular Name: (3R)-1-(4-chlorophthalazin-1-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(4-chlorophthalazin-1-yl)…

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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) 2.91 7.87 -47.33 1 4 1 33 277.779 2 ↓
Mid Mid (pH 6-8) 2.91 5.46 -11.12 0 4 0 32 276.771 2 ↓
Lo Low (pH 4.5-6) 2.91 8.67 -84.78 2 4 2 35 278.787 2 ↓
Lo Low (pH 4.5-6) 2.91 8 -79.45 2 4 2 35 278.787 2 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.