UCSF

ZINC02067168

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 34 No

Popular Name: 5-{2-hydroxy-3,5-bisnitrophenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one 5-{2-hydroxy-3,5-bisnitrophenyl}…

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Other Names:

MFCD00637703

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) 4.80 13.57 -45.82 1 9 -1 144 458.45 3 ↓
Lo Low (pH 4.5-6) 4.80 12.49 -11 2 9 0 141 459.458 3 ↓

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

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