UCSF

ZINC60021664

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 32 No

Popular Name: 1-phenyl-1-[(2S)-2-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroquinazolin-1-ium-4-one 1-phenyl-1-[(2S)-2-(4-phenylpipe…

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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) 0.70 11.37 -39.36 1 5 1 36 427.572 5 ↓
Lo Low (pH 4.5-6) 0.70 13.53 -127.74 2 5 2 37 428.58 5 ↓

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

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